Structure of PDB 5e9k Chain A Binding Site BS01

Receptor Information
>5e9k Chain A (length=116) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVI
KKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGH
NMRKYFEKKWTDTFKV
Ligand information
Ligand ID5KX
InChIInChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKeyOCVXSFKKWXMYPF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cnc([nH]1)Cl
ACDLabs 12.01Clc1nccn1
CACTVS 3.385Clc1[nH]ccn1
FormulaC3 H3 Cl N2
Name2-chloro-1H-imidazole
ChEMBLCHEMBL64560
DrugBank
ZINCZINC000002577855
PDB chain5e9k Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5e9k High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Resolution2.067 Å
Binding residue
(original residue number in PDB)		P1888 F1889 V1893 N1944
Binding residue
(residue number reindexed from 1)		P33 F34 V38 N89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5e9k, PDBe:5e9k, PDBj:5e9k
PDBsum5e9k
PubMed26942307
UniProtQ9UIF8|BAZ2B_HUMAN Bromodomain adjacent to zinc finger domain protein 2B (Gene Name=BAZ2B)

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